[2-cyano-4-[5-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] propanoate

Systemtic Name: [2-cyano-4-[5-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] propanoate Openeye Name: [2-cyano-4-[5-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] propanoate CAS Name: propanoic acid [2-cyano-4-[5-[1-(4-pentylcyclohexyl)ethyl]-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-cyano-4-[5-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] propanoate Traditional Name: propionic acid [4-[5-[1-(4-amylcyclohexyl)ethyl]pyrimidin-2-yl]-2-cyano-phenyl] ester Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(C)C2=CN=C(N=C2)C3=CC(=C(C=C3)OC(=O)CC)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C(C)C2=CN=C(N=C2)C3=CC(=C(C=C3)OC(=O)CC)C#N

InChI

InChI=1S/C27H35N3O2/c1-4-6-7-8-20-9-11-21(12-10-20)19(3)24-17-29-27(30-18-24)22-13-14-25(23(15-22)16-28)32-26(31)5-2/h13-15,17-21H,4-12H2,1-3H3